Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.30 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.30 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1128432 | 0.85 | HDAC3 (0.35) | HDAC3HSD17B3NOTUMKCNH2HRH3 | |
| Iodide SCHEMBL10822526 | 0.84 | HDAC3 (0.35) | HDAC3HSD17B3KCNH2HRH3MEN1 | |
| SCHEMBL9809180 | 0.79 | MEN1 (0.37) | HDAC3HSD17B3KCNH2MEN1KMT2A | |
| SCHEMBL27936293 | 0.74 | MEN1 (0.33) | HDAC3MEN1KMT2A | |
| SCHEMBL27936286 | 0.74 | MEN1 (0.33) | HDAC3MEN1KMT2A | |
| SCHEMBL27936399 | 0.74 | MEN1 (0.33) | HDAC3MEN1KMT2A | |
| SCHEMBL24292990 | 0.72 | P2RX4 (0.42) | HSD17B3P2RX1P2RX3P2RX4P2RX7 | |
| SCHEMBL1564351 | 0.71 | HDAC3 (0.41) | HDAC3HSD17B3NOTUMKCNH2MEN1 | |
| SCHEMBL4854749 | 0.71 | HDAC3 (0.41) | HDAC3HSD17B3NOTUMMEN1KMT2A | |
| SCHEMBL30385312 | 0.71 | HDAC3 (0.41) | HDAC3HSD17B3NOTUMKCNH2MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1945222-A2 | PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES | Bayer HealthCare AG (DE) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007056170-A2 | PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES | BAYER HEALTHCARE AG (DE) | 2007-05-18 | — | — | WO | disclosed |